5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide

C20H24N4O2 — CID 118787005

IUPAC5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCCCc2nc3ccccc3n2C)c1C
InChIInChI=1S/C20H24N4O2/c1-12-18(13(2)22-19(12)14(3)25)20(26)21-11-7-10-17-23-15-8-5-6-9-16(15)24(17)4/h5-6,8-9,22H,7,10-11H2,1-4H3,(H,21,26)
InChIKeyREFZBSREBLXULL-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.08
Rot. Bonds6

About 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide

5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide (PubChem CID 118787005) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide
PubChem CID118787005
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)NCCCc2nc3ccccc3n2C)c1C
InChIInChI=1S/C20H24N4O2/c1-12-18(13(2)22-19(12)14(3)25)20(26)21-11-7-10-17-23-15-8-5-6-9-16(15)24(17)4/h5-6,8-9,22H,7,10-11H2,1-4H3,(H,21,26)
InChIKeyREFZBSREBLXULL-UHFFFAOYSA-N
XLogP3.08
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
CID 91769490
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 50970727
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
4-[3-(1-methylbenzimidazol-2-yl)propylamino]butan-1-ol
CID 83962016
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 91821860
5-cyclopropyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,3-oxazole-4-carboxamide
CID 118767443
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide (CID 118787005) is 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)NCCCc2nc3ccccc3n2C)c1C.
What is the InChIKey of 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide?
The InChIKey is REFZBSREBLXULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12-18(13(2)22-19(12)14(3)25)20(26)21-11-7-10-17-23-15-8-5-6-9-16(15)24(17)4/h5-6,8-9,22H,7,10-11H2,1-4H3,(H,21,26).
What are the key properties of 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide?
5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 118787005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).